SCHEMBL4126714

SCHEMBL4126714

CC(C)(O)CNC(=O)C(N)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
FPR2 P25090 1/20 0.35
PIK3CD O00329 1/20 0.34
CNR1 P21554 6/20 0.33
CNR2 P34972 6/20 0.33
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
CFTR P13569 1/20 0.31
ARG1 P05089 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11972585 0.82 DPP4 (0.42) DPP4ALDH1A1MAPTPTGS1
SCHEMBL19882810 0.81 PIK3CD (0.39) DPP4FPR2PIK3CDCNR1CNR2
SCHEMBL29645831 0.81 PIK3CD (0.39) DPP4FPR2PIK3CDCNR1CNR2
SCHEMBL2735577 0.78 DPP4 (0.46) DPP4ALDH1A1MAPTPTGS1ARG1
SCHEMBL8034816 0.78 DPP4 (0.46) DPP4ALDH1A1MAPTPTGS1ARG1
SCHEMBL10311712 0.76 PIK3CD (0.42) DPP4FPR2PIK3CDCNR1CNR2
SCHEMBL4126708 0.75 FPR2 (0.35) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL1337609 0.75 USP2 (0.50) DPP4CNR1ALDH1A1MAPTPTGS1
SCHEMBL12898741 0.75 ALDH1A1 (0.50) DPP4ALDH1A1MAPTPTGS1
SCHEMBL1337607 0.75 USP2 (0.50) DPP4CNR1ALDH1A1MAPTPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 DPP4 4359/4885FPR2 229/4885PIK3CD 1651/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.